SCHEMBL20539253

SCHEMBL20539253

Nc1nccn1CCC[C@H](N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 1.00
TLR8 Q9NR97 2/20 0.51
GSR P00390 1/20 0.40
NOS1 P29475 5/20 0.37
NOS3 P29474 3/20 0.37
NOS2 P35228 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ARG2 P78540 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21062468 1.00 ARG1 (1.00) ARG1TLR8GSRNOS1NOS3
SCHEMBL20539252 1.00 ARG1 (1.00) ARG1TLR8GSRNOS1NOS3
Trifluoroacetic Acid SCHEMBL30759415 0.92 ARG1 (0.85) ARG1TLR8GSRNOS1NOS3
SCHEMBL22147484 0.87 ARG1 (0.76) ARG1TLR8KMT2ATSHRSMN1; SMN2
SCHEMBL22923264 0.84 ARG1 (0.72) ARG1TLR8KMT2ATSHRSMN1; SMN2
SCHEMBL25469172 0.84 ARG1 (0.72) ARG1TLR8KMT2ACYP1A2SMN1; SMN2
SCHEMBL25471583 0.83 ARG1 (0.71) ARG1TLR8KMT2ASMN1; SMN2
SCHEMBL13957546 0.81 ARG1 (0.68) ARG1TLR8KMT2ACYP1A2GRIK5
SCHEMBL25471582 0.80 ARG1 (0.66) ARG1TLR8KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8971149 0.80 ARG1 (0.66) ARG1TLR8KMT2ACYP1A2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115573-A1 Managing the Acute and Long-Term Effects of Coronaviral Infections and Compositions Related Thereto UNIV EMORY (US) 2024-04-11 US disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
WO-2024006841-A2 COMPOSITIONS FOR WEIGHT LOSS AND CANCER TREATMENT KNOWLEDGE PHARMACEUTICALS INC. (US) 2024-01-04 WO disclosed
WO-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 WO disclosed
US-20220296584-A1 Membrane Active Molecules KNOWLEDGE PHARMACEUTICALS INC. 2022-09-22 US disclosed
EP-3973997-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2022-03-30 EP disclosed
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2020-12-03 US disclosed
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2018-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220296584-A1 Membrane Active Molecules GABRP, GRIN3A, GRIN2A ARG1 4334/4885TLR8 636/4885GSR 869/4885
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A ARG1 4334/4885TLR8 636/4885GSR 869/4885
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A ARG1 4334/4885TLR8 636/4885GSR 869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.